Sodium in the structure of Comparison Of The Character And The Speed Of X-Ray-Induced Structural Changes Of Porcine Pancreatic Elastase At Two Temperatures, 100 and 15K. The Data Set Was Collected From Region A Of the Crystal. Third Step of Radiation Damage (pdb 3mu0)

The binding sites of Sodium atom in the structure of Comparison Of The Character And The Speed Of X-Ray-Induced Structural Changes Of Porcine Pancreatic Elastase At Two Temperatures, 100 and 15K. The Data Set Was Collected From Region A Of the Crystal. Third Step of Radiation Damage (pdb code 3mu0). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3mu0 structure was solved by T.PETROVA, S.GINELL, A.MITSCHLER, A.COUSIDO-SIAH, I.HAZEMANN, A.PODJARNY, A.JOACHIMIAK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 45.7-1.4 Space group P212121 a (A) 50.161 b (A) 57.826 c (A) 74.726 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 10.8 Rfree (%) 14.2 Sodium Binding Sites: Sodium binding site 1 out of 1 in 3mu0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3mu0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu70, A: His71, A: Asn72, A: Leu73, A: Asn74, A: Gln75, A: Asn76, A: Asn77, A: Glu80, A: Hoh383, A: Hoh518, conact list: Atom Atom Distance (A) Na OE1 A:Glu70 3.57 Na OE2 A:Glu70 2.36 Na CD A:Glu70 3.28 Na CG A:Glu70 4.58 Na N A:His71 4.62 Na O A:Asn72 2.33 Na N A:Asn72 4.00 Na CB A:Asn72 4.48 Na C A:Asn72 3.46 Na CA A:Asn72 4.19 Na O A:Leu73 4.81 Na N A:Leu73 4.45 Na C A:Leu73 4.57 Na CA A:Leu73 4.58 Na N A:Asn74 4.93 Na N A:Asn74 4.92 Na O A:Gln75 2.32 Na N A:Gln75 4.28 Na C A:Gln75 3.51 Na CA A:Gln75 4.50 Na N A:Asn76 4.33 Na C A:Asn76 4.34 Na CA A:Asn76 4.27 Na N A:Asn77 3.74 Na CB A:Asn77 4.06 Na ND2 A:Asn77 4.31 Na OD1 A:Asn77 2.47 Na CG A:Asn77 3.40 Na CA A:Asn77 4.52 Na OE1 A:Glu80 4.51 Na OE2 A:Glu80 2.38 Na CD A:Glu80 3.45 Na CG A:Glu80 3.93 Na O A:Hoh383 2.83 Na O A:Hoh518 2.96 interactive model: